methyl 3-methyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: methyl 3-methyl-4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: methyl 3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]benzoate CAS Name: 3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]benzoate Traditional Name: 3-methyl-4-[2-nitro-4-(trifluoromethyl)anilino]benzoic acid methyl ester Formula: C16H13F3N2O4 MolecularWeight: 354.28063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13F3N2O4/c1-9-7-10(15(22)25-2)3-5-12(9)20-13-6-4-11(16(17,18)19)8-14(13)21(23)24/h3-8,20H,1-2H3